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	hartrees
Energy at 0K	-229.875052
Energy at 298.15K	-229.882519
HF Energy	-229.875052
Nuclear repulsion energy	175.893776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3367	3046	8.22
2	A₁	3150	2849	10.17
3	A₁	1824	1650	0.11
4	A₁	1657	1499	1.05
5	A₁	1536	1389	9.00
6	A₁	1208	1093	0.53
7	A₁	1051	951	22.02
8	A₁	1010	914	16.78
9	A₁	809	732	7.85
10	A₂	3164	2862	0.00
11	A₂	1334	1207	0.00
12	A₂	1170	1058	0.00
13	A₂	1067	965	0.00
14	A₂	434	392	0.00
15	B₁	3167	2865	101.23
16	B₁	1304	1179	0.61
17	B₁	1135	1027	30.05
18	B₁	758	685	42.60
19	B₁	137	124	10.93
20	B₂	3342	3023	5.47
21	B₂	3145	2845	173.07
22	B₂	1646	1489	1.71
23	B₂	1503	1360	8.41
24	B₂	1452	1313	1.02
25	B₂	1256	1136	137.40
26	B₂	978	885	0.16
27	B₂	880	796	1.78

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.167
C2	0.000	1.161	0.375
C3	0.000	0.655	-1.038
C4	0.000	-0.655	-1.038
C5	0.000	-1.161	0.375
H6	0.877	1.760	0.601
H7	-0.877	1.760	0.601
H8	-0.877	-1.760	0.601
H9	0.877	-1.760	0.601
H10	0.000	1.299	-1.895
H11	0.000	-1.299	-1.895

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4051	2.3005	2.3005	1.4051	2.0466	2.0466	2.0466	2.0466	3.3265	3.3265
C2	1.4051		1.5011	2.3015	2.3216	1.0861	1.0861	3.0583	3.0583	2.2750	3.3475
C3	2.3005	1.5011		1.3110	2.3015	2.1625	2.1625	3.0482	3.0482	1.0718	2.1340
C4	2.3005	2.3015	1.3110		1.5011	3.0482	3.0482	2.1625	2.1625	2.1340	1.0718
C5	1.4051	2.3216	2.3015	1.5011		3.0583	3.0583	1.0861	1.0861	3.3475	2.2750
H6	2.0466	1.0861	2.1625	3.0482	3.0583		1.7544	3.9335	3.5206	2.6860	4.0446
H7	2.0466	1.0861	2.1625	3.0482	3.0583	1.7544		3.5206	3.9335	2.6860	4.0446
H8	2.0466	3.0583	3.0482	2.1625	1.0861	3.9335	3.5206		1.7544	4.0446	2.6860
H9	2.0466	3.0583	3.0482	2.1625	1.0861	3.5206	3.9335	1.7544		4.0446	2.6860
H10	3.3265	2.2750	1.0718	2.1340	3.3475	2.6860	2.6860	4.0446	4.0446		2.5974
H11	3.3265	3.3475	2.1340	1.0718	2.2750	4.0446	4.0446	2.6860	2.6860	2.5974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	104.621	O1	C2	H6	109.814
O1	C2	H7	109.814	O1	C5	C4	104.621
O1	C5	H8	109.814	O1	C5	H9	109.814
C2	O1	C5	111.413	C2	C3	C4	109.673
C2	C3	H10	123.449	C3	C2	H6	112.417
C3	C2	H7	112.417	C3	C4	C5	109.673
C3	C4	H11	126.878	C4	C3	H10	126.878
C4	C5	H8	112.417	C4	C5	H9	112.417
C5	C4	H11	123.449	H6	C2	H7	107.729
H8	C5	H9	107.729

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.862
2	C	-0.280
3	C	-0.803
4	C	-0.803
5	C	-0.280
6	H	0.377
7	H	0.377
8	H	0.377
9	H	0.377
10	H	0.761
11	H	0.761

<r²>	93.016
(<r²>)^1/2	9.644

All results from a given calculation for C4H6O (Furan, 2,5-dihydro-)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)